General Information of the Compound
| Compound ID |
CP0931122
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| Compound Name |
trans-3-(2-((5R)-5-((7-Fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl)-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)-2-oxoethyl)cyclobutanecarboxylic Acid
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| Formula |
C28H32FN3O5
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| Molecular Weight |
509.578
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| Canonical SMILES |
COc1ccc2c(n1)CCN(C(=O)C[C@H]1C[C@H](C(=O)O)C1)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C
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| InChI |
InChI=1S/C28H32FN3O5/c1-28(2)8-6-16-13-18(14-20(29)24(16)28)30-26(34)25-19-4-5-22(37-3)31-21(19)7-9-32(25)23(33)12-15-10-17(11-15)27(35)36/h4-5,13-15,17,25H,6-12H2,1-3H3,(H,30,34)(H,35,36)/t15-,17-,25-/m1/s1
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| InChIKey |
VBYHBAALBWKRHH-XVNUGVHUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound